CID 178244250

4-imino-2,6-dimethylcyclohex-2-en-1-one

Structural Information

Molecular Formula
C8H11NO
SMILES
CC1CC(=N)C=C(C1=O)C
InChI
InChI=1S/C8H11NO/c1-5-3-7(9)4-6(2)8(5)10/h3,6,9H,4H2,1-2H3
InChIKey
OSPKQDAUMACUDB-UHFFFAOYSA-N
Compound name
4-imino-2,6-dimethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 125.7
[M+Na]+ 160.073278 134.1
[M-H]- 136.076784 130.0
[M+NH4]+ 155.117883 147.9
[M+K]+ 176.047218 132.2
[M+H-H2O]+ 120.081320 120.9
[M+HCOO]- 182.082261 149.4
[M+CH3COO]- 196.097911 177.5
[M+Na-2H]- 158.058726 130.9
[M]+ 137.08351142 122.9
[M]- 137.08460858 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.